9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one

C14H26N2O — CID 55106315

IUPAC9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC(CCN(C)C)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C14H26N2O/c1-11(7-8-15(2)3)16-12-5-4-6-13(16)10-14(17)9-12/h11-13H,4-10H2,1-3H3
InChIKeyDMWSZBAWFFFILJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.91
Rot. Bonds4

About 9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one

9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 55106315) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID55106315
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC(CCN(C)C)N1C2CCCC1CC(=O)C2
InChIInChI=1S/C14H26N2O/c1-11(7-8-15(2)3)16-12-5-4-6-13(16)10-14(17)9-12/h11-13H,4-10H2,1-3H3
InChIKeyDMWSZBAWFFFILJ-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one (CID 55106315) is 9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one is CC(CCN(C)C)N1C2CCCC1CC(=O)C2.
What is the InChIKey of 9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is DMWSZBAWFFFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(7-8-15(2)3)16-12-5-4-6-13(16)10-14(17)9-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 238.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(dimethylamino)butan-2-yl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 55106315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).